sodium 8-ethyltetrazolo[1,5-a]quinoline-4-carboxylate

C12H9N4NaO2 — CID 59696642

IUPACsodium 8-ethyltetrazolo[1,5-a]quinoline-4-carboxylate
SMILESCCc1ccc2cc(C(=O)[O-])c3nnnn3c2c1.[Na+]
InChIInChI=1S/C12H10N4O2.Na/c1-2-7-3-4-8-6-9(12(17)18)11-13-14-15-16(11)10(8)5-7;/h3-6H,2H2,1H3,(H,17,18);/q;+1/p-1
InChIKeyBAABEAWHFJZLDR-UHFFFAOYSA-M
MW264.22 g/mol
LogP-2.79
Rot. Bonds2

About sodium 8-ethyltetrazolo[1,5-a]quinoline-4-carboxylate

sodium 8-ethyltetrazolo[1,5-a]quinoline-4-carboxylate (PubChem CID 59696642) has the molecular formula C12H9N4NaO2 and a molecular weight of 264.22 g/mol. Its IUPAC name is sodium 8-ethyltetrazolo[1,5-a]quinoline-4-carboxylate.

Molecular Properties

Compound Namesodium 8-ethyltetrazolo[1,5-a]quinoline-4-carboxylate
PubChem CID59696642
Molecular FormulaC12H9N4NaO2
Molecular Weight264.22 g/mol
Exact Mass264.06
IUPAC Namesodium 8-ethyltetrazolo[1,5-a]quinoline-4-carboxylate
SMILESCCc1ccc2cc(C(=O)[O-])c3nnnn3c2c1.[Na+]
InChIInChI=1S/C12H10N4O2.Na/c1-2-7-3-4-8-6-9(12(17)18)11-13-14-15-16(11)10(8)5-7;/h3-6H,2H2,1H3,(H,17,18);/q;+1/p-1
InChIKeyBAABEAWHFJZLDR-UHFFFAOYSA-M
XLogP-2.79
TPSA83.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 5-2.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium 8-ethyltetrazolo[1,5-a]quinoline-4-carboxylate?
The IUPAC name of sodium 8-ethyltetrazolo[1,5-a]quinoline-4-carboxylate (CID 59696642) is sodium 8-ethyltetrazolo[1,5-a]quinoline-4-carboxylate.
What is the SMILES notation for sodium 8-ethyltetrazolo[1,5-a]quinoline-4-carboxylate?
The canonical SMILES for sodium 8-ethyltetrazolo[1,5-a]quinoline-4-carboxylate is CCc1ccc2cc(C(=O)[O-])c3nnnn3c2c1.[Na+].
What is the InChIKey of sodium 8-ethyltetrazolo[1,5-a]quinoline-4-carboxylate?
The InChIKey is BAABEAWHFJZLDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10N4O2.Na/c1-2-7-3-4-8-6-9(12(17)18)11-13-14-15-16(11)10(8)5-7;/h3-6H,2H2,1H3,(H,17,18);/q;+1/p-1.
What are the key properties of sodium 8-ethyltetrazolo[1,5-a]quinoline-4-carboxylate?
sodium 8-ethyltetrazolo[1,5-a]quinoline-4-carboxylate has a molecular weight of 264.22 g/mol, XLogP of -2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 8-ethyltetrazolo[1,5-a]quinoline-4-carboxylate is sourced from PubChem (CID 59696642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).